SCHEMBL9249899

SCHEMBL9249899

O=C(NCCCN1CCN(C(c2ccccc2)c2ccccn2)CC1)C1CSC(c2cccnc2)N1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.54
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ DRD2 P14416 3/20 0.45
▸ DRD3 P35462 3/20 0.45
▸ ALOX5 P09917 1/20 0.43
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9249896 1.00 PTAFR (0.54) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9669731 0.93 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9669732 0.93 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9258675 0.90 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9258677 0.90 PTAFR (0.59) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9255760 0.89 PTAFR (0.47) PTAFRKDM4EALDH1A1FNTAFNTB
SCHEMBL9255753 0.89 PTAFR (0.47) PTAFRKDM4EALDH1A1FNTAFNTB
SCHEMBL9253464 0.88 DRD3 (0.55) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9253469 0.88 DRD3 (0.55) PTAFRKDM4EALDH1A1DRD2DRD3
SCHEMBL9253460 0.88 DRD3 (0.55) PTAFRKDM4EALDH1A1DRD2DRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 — — US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 — — EP disclosed
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